USER MOD reduce.3.24.130724 H: found=0, std=0, add=290, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 293 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 205 SER OG : rot 180:sc= -0.013 USER MOD Single : A 207 THR OG1 : rot 180:sc= 0 USER MOD Single : A 208 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 209 ASN : amide:sc= -0.269 K(o=-0.27,f=-3.5!) USER MOD Single : A 211 THR OG1 : rot 180:sc= 0 USER MOD Single : A 212 THR OG1 : rot 180:sc= 0 USER MOD Single : A 216 SER OG : rot 180:sc= 0 USER MOD Single : A 221 SER OG : rot 70:sc= 0.0246 USER MOD Single : A 225 CYS SG : rot 87:sc= 0.634 USER MOD Single : A 235 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 237 TYR OH : rot 180:sc= 0 USER MOD Single : A 238 SER OG : rot -24:sc= 0.395 USER MOD Single : A 239 MET CE :methyl -161:sc= -0.136 (180deg=-0.672) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 204 -27.465 4.430 13.312 1.00 11.27 N ATOM 2 CA GLY A 204 -26.196 3.719 13.636 1.00 10.74 C ATOM 3 C GLY A 204 -25.809 2.712 12.570 1.00 10.08 C ATOM 4 O GLY A 204 -26.369 1.616 12.511 1.00 10.33 O ATOM 0 HA2 GLY A 204 -25.394 4.448 13.752 1.00 10.74 H new ATOM 0 HA3 GLY A 204 -26.303 3.208 14.593 1.00 10.74 H new ATOM 10 N SER A 205 -24.850 3.084 11.728 1.00 9.44 N ATOM 11 CA SER A 205 -24.389 2.205 10.658 1.00 8.98 C ATOM 12 C SER A 205 -22.928 2.477 10.319 1.00 8.39 C ATOM 13 O SER A 205 -22.477 3.624 10.346 1.00 8.34 O ATOM 14 CB SER A 205 -25.258 2.389 9.413 1.00 9.23 C ATOM 15 OG SER A 205 -26.612 2.065 9.681 1.00 10.03 O ATOM 0 H SER A 205 -24.377 3.987 11.765 1.00 9.44 H new ATOM 0 HA SER A 205 -24.474 1.175 11.005 1.00 8.98 H new ATOM 0 HB2 SER A 205 -25.190 3.421 9.068 1.00 9.23 H new ATOM 0 HB3 SER A 205 -24.883 1.758 8.608 1.00 9.23 H new ATOM 0 HG SER A 205 -27.146 2.193 8.869 1.00 10.03 H new ATOM 21 N PHE A 206 -22.195 1.417 9.997 1.00 8.19 N ATOM 22 CA PHE A 206 -20.783 1.536 9.649 1.00 7.85 C ATOM 23 C PHE A 206 -20.368 0.421 8.694 1.00 7.28 C ATOM 24 O PHE A 206 -19.179 0.191 8.471 1.00 7.58 O ATOM 25 CB PHE A 206 -19.915 1.493 10.910 1.00 8.48 C ATOM 26 CG PHE A 206 -19.988 0.185 11.649 1.00 8.90 C ATOM 27 CD1 PHE A 206 -21.070 -0.109 12.462 1.00 8.94 C ATOM 28 CD2 PHE A 206 -18.969 -0.748 11.533 1.00 9.52 C ATOM 29 CE1 PHE A 206 -21.139 -1.311 13.142 1.00 9.58 C ATOM 30 CE2 PHE A 206 -19.032 -1.952 12.209 1.00 10.16 C ATOM 31 CZ PHE A 206 -20.118 -2.233 13.015 1.00 10.18 C ATOM 0 H PHE A 206 -22.556 0.463 9.970 1.00 8.19 H new ATOM 0 HA PHE A 206 -20.636 2.495 9.152 1.00 7.85 H new ATOM 0 HB2 PHE A 206 -18.879 1.687 10.634 1.00 8.48 H new ATOM 0 HB3 PHE A 206 -20.222 2.296 11.580 1.00 8.48 H new ATOM 0 HD1 PHE A 206 -21.870 0.609 12.566 1.00 8.94 H new ATOM 0 HD2 PHE A 206 -18.116 -0.531 10.907 1.00 9.52 H new ATOM 0 HE1 PHE A 206 -21.989 -1.529 13.771 1.00 9.58 H new ATOM 0 HE2 PHE A 206 -18.233 -2.672 12.107 1.00 10.16 H new ATOM 0 HZ PHE A 206 -20.169 -3.172 13.545 1.00 10.18 H new ATOM 41 N THR A 207 -21.356 -0.265 8.132 1.00 6.75 N ATOM 42 CA THR A 207 -21.102 -1.358 7.200 1.00 6.52 C ATOM 43 C THR A 207 -21.848 -1.144 5.886 1.00 5.52 C ATOM 44 O THR A 207 -23.016 -1.512 5.758 1.00 5.53 O ATOM 45 CB THR A 207 -21.516 -2.714 7.801 1.00 7.16 C ATOM 46 OG1 THR A 207 -20.842 -2.922 9.047 1.00 7.94 O ATOM 47 CG2 THR A 207 -21.192 -3.855 6.848 1.00 7.52 C ATOM 0 H THR A 207 -22.344 -0.083 8.306 1.00 6.75 H new ATOM 0 HA THR A 207 -20.029 -1.368 7.006 1.00 6.52 H new ATOM 0 HB THR A 207 -22.593 -2.697 7.967 1.00 7.16 H new ATOM 0 HG1 THR A 207 -21.111 -3.785 9.424 1.00 7.94 H new ATOM 0 HG21 THR A 207 -21.494 -4.801 7.297 1.00 7.52 H new ATOM 0 HG22 THR A 207 -21.729 -3.710 5.911 1.00 7.52 H new ATOM 0 HG23 THR A 207 -20.120 -3.873 6.653 1.00 7.52 H new ATOM 55 N MET A 208 -21.167 -0.545 4.914 1.00 4.97 N ATOM 56 CA MET A 208 -21.764 -0.283 3.609 1.00 4.29 C ATOM 57 C MET A 208 -21.848 -1.563 2.783 1.00 3.61 C ATOM 58 O MET A 208 -21.614 -2.658 3.295 1.00 3.96 O ATOM 59 CB MET A 208 -20.953 0.774 2.855 1.00 4.65 C ATOM 60 CG MET A 208 -21.021 2.161 3.478 1.00 5.27 C ATOM 61 SD MET A 208 -20.214 2.242 5.090 1.00 5.92 S ATOM 62 CE MET A 208 -20.534 3.945 5.542 1.00 6.74 C ATOM 0 H MET A 208 -20.201 -0.232 5.006 1.00 4.97 H new ATOM 0 HA MET A 208 -22.775 0.092 3.768 1.00 4.29 H new ATOM 0 HB2 MET A 208 -19.911 0.456 2.811 1.00 4.65 H new ATOM 0 HB3 MET A 208 -21.313 0.830 1.827 1.00 4.65 H new ATOM 0 HG2 MET A 208 -20.553 2.880 2.806 1.00 5.27 H new ATOM 0 HG3 MET A 208 -22.065 2.456 3.584 1.00 5.27 H new ATOM 0 HE1 MET A 208 -20.096 4.151 6.519 1.00 6.74 H new ATOM 0 HE2 MET A 208 -20.091 4.608 4.799 1.00 6.74 H new ATOM 0 HE3 MET A 208 -21.610 4.114 5.584 1.00 6.74 H new ATOM 72 N ASN A 209 -22.186 -1.417 1.504 1.00 3.19 N ATOM 73 CA ASN A 209 -22.300 -2.562 0.606 1.00 3.10 C ATOM 74 C ASN A 209 -21.011 -3.377 0.594 1.00 2.76 C ATOM 75 O ASN A 209 -20.948 -4.462 1.171 1.00 3.19 O ATOM 76 CB ASN A 209 -22.636 -2.094 -0.812 1.00 3.66 C ATOM 77 CG ASN A 209 -23.983 -1.401 -0.891 1.00 4.37 C ATOM 78 OD1 ASN A 209 -24.449 -0.810 0.082 1.00 4.83 O ATOM 79 ND2 ASN A 209 -24.615 -1.468 -2.057 1.00 4.91 N ATOM 0 H ASN A 209 -22.386 -0.517 1.067 1.00 3.19 H new ATOM 0 HA ASN A 209 -23.106 -3.198 0.971 1.00 3.10 H new ATOM 0 HB2 ASN A 209 -21.860 -1.413 -1.160 1.00 3.66 H new ATOM 0 HB3 ASN A 209 -22.632 -2.952 -1.485 1.00 3.66 H new ATOM 0 HD21 ASN A 209 -25.523 -1.019 -2.171 1.00 4.91 H new ATOM 0 HD22 ASN A 209 -24.192 -1.969 -2.838 1.00 4.91 H new ATOM 86 N ASP A 210 -19.986 -2.845 -0.066 1.00 2.20 N ATOM 87 CA ASP A 210 -18.696 -3.520 -0.151 1.00 1.85 C ATOM 88 C ASP A 210 -17.637 -2.593 -0.737 1.00 1.67 C ATOM 89 O ASP A 210 -16.513 -3.014 -1.010 1.00 1.70 O ATOM 90 CB ASP A 210 -18.811 -4.779 -1.012 1.00 1.87 C ATOM 91 CG ASP A 210 -18.210 -6.000 -0.342 1.00 2.29 C ATOM 92 OD1 ASP A 210 -18.851 -6.547 0.579 1.00 2.79 O ATOM 93 OD2 ASP A 210 -17.098 -6.407 -0.739 1.00 2.54 O1- ATOM 0 H ASP A 210 -20.025 -1.948 -0.550 1.00 2.20 H new ATOM 0 HA ASP A 210 -18.395 -3.801 0.858 1.00 1.85 H new ATOM 0 HB2 ASP A 210 -19.861 -4.970 -1.232 1.00 1.87 H new ATOM 0 HB3 ASP A 210 -18.311 -4.609 -1.966 1.00 1.87 H new ATOM 98 N THR A 211 -18.005 -1.331 -0.934 1.00 1.54 N ATOM 99 CA THR A 211 -17.085 -0.347 -1.489 1.00 1.39 C ATOM 100 C THR A 211 -15.862 -0.177 -0.595 1.00 1.19 C ATOM 101 O THR A 211 -14.727 -0.311 -1.052 1.00 1.05 O ATOM 102 CB THR A 211 -17.767 1.024 -1.674 1.00 1.44 C ATOM 103 OG1 THR A 211 -18.860 0.907 -2.594 1.00 1.62 O ATOM 104 CG2 THR A 211 -16.779 2.064 -2.187 1.00 1.34 C ATOM 0 H THR A 211 -18.933 -0.967 -0.718 1.00 1.54 H new ATOM 0 HA THR A 211 -16.773 -0.721 -2.464 1.00 1.39 H new ATOM 0 HB THR A 211 -18.138 1.350 -0.702 1.00 1.44 H new ATOM 0 HG1 THR A 211 -19.289 1.781 -2.705 1.00 1.62 H new ATOM 0 HG21 THR A 211 -17.288 3.020 -2.308 1.00 1.34 H new ATOM 0 HG22 THR A 211 -15.963 2.175 -1.472 1.00 1.34 H new ATOM 0 HG23 THR A 211 -16.378 1.742 -3.148 1.00 1.34 H new ATOM 112 N THR A 212 -16.105 0.108 0.681 1.00 1.20 N ATOM 113 CA THR A 212 -15.026 0.304 1.645 1.00 1.06 C ATOM 114 C THR A 212 -14.054 -0.872 1.651 1.00 0.95 C ATOM 115 O THR A 212 -12.895 -0.723 2.038 1.00 0.80 O ATOM 116 CB THR A 212 -15.578 0.504 3.071 1.00 1.16 C ATOM 117 OG1 THR A 212 -16.632 1.475 3.057 1.00 1.30 O ATOM 118 CG2 THR A 212 -14.480 0.962 4.018 1.00 1.05 C ATOM 0 H THR A 212 -17.042 0.209 1.072 1.00 1.20 H new ATOM 0 HA THR A 212 -14.493 1.203 1.334 1.00 1.06 H new ATOM 0 HB THR A 212 -15.966 -0.452 3.422 1.00 1.16 H new ATOM 0 HG1 THR A 212 -16.978 1.595 3.966 1.00 1.30 H new ATOM 0 HG21 THR A 212 -14.894 1.096 5.017 1.00 1.05 H new ATOM 0 HG22 THR A 212 -13.691 0.211 4.050 1.00 1.05 H new ATOM 0 HG23 THR A 212 -14.067 1.908 3.666 1.00 1.05 H new ATOM 126 N VAL A 213 -14.525 -2.043 1.223 1.00 1.07 N ATOM 127 CA VAL A 213 -13.678 -3.229 1.185 1.00 1.04 C ATOM 128 C VAL A 213 -12.464 -2.990 0.295 1.00 0.87 C ATOM 129 O VAL A 213 -11.362 -3.458 0.588 1.00 0.79 O ATOM 130 CB VAL A 213 -14.448 -4.465 0.682 1.00 1.21 C ATOM 131 CG1 VAL A 213 -13.554 -5.698 0.693 1.00 1.21 C ATOM 132 CG2 VAL A 213 -15.691 -4.694 1.528 1.00 1.41 C ATOM 0 H VAL A 213 -15.481 -2.193 0.901 1.00 1.07 H new ATOM 0 HA VAL A 213 -13.350 -3.423 2.206 1.00 1.04 H new ATOM 0 HB VAL A 213 -14.759 -4.283 -0.346 1.00 1.21 H new ATOM 0 HG11 VAL A 213 -14.118 -6.559 0.334 1.00 1.21 H new ATOM 0 HG12 VAL A 213 -12.695 -5.530 0.043 1.00 1.21 H new ATOM 0 HG13 VAL A 213 -13.209 -5.888 1.709 1.00 1.21 H new ATOM 0 HG21 VAL A 213 -16.225 -5.571 1.161 1.00 1.41 H new ATOM 0 HG22 VAL A 213 -15.400 -4.855 2.566 1.00 1.41 H new ATOM 0 HG23 VAL A 213 -16.340 -3.821 1.464 1.00 1.41 H new ATOM 142 N TRP A 214 -12.674 -2.256 -0.794 1.00 0.85 N ATOM 143 CA TRP A 214 -11.595 -1.940 -1.722 1.00 0.74 C ATOM 144 C TRP A 214 -10.769 -0.772 -1.195 1.00 0.59 C ATOM 145 O TRP A 214 -9.570 -0.685 -1.454 1.00 0.51 O ATOM 146 CB TRP A 214 -12.154 -1.605 -3.104 1.00 0.83 C ATOM 147 CG TRP A 214 -12.918 -2.733 -3.728 1.00 1.03 C ATOM 148 CD1 TRP A 214 -14.223 -3.062 -3.504 1.00 1.21 C ATOM 149 CD2 TRP A 214 -12.422 -3.681 -4.679 1.00 1.11 C ATOM 150 NE1 TRP A 214 -14.570 -4.158 -4.257 1.00 1.37 N ATOM 151 CE2 TRP A 214 -13.481 -4.556 -4.987 1.00 1.31 C ATOM 152 CE3 TRP A 214 -11.184 -3.876 -5.301 1.00 1.09 C ATOM 153 CZ2 TRP A 214 -13.340 -5.608 -5.889 1.00 1.45 C ATOM 154 CZ3 TRP A 214 -11.046 -4.921 -6.196 1.00 1.26 C ATOM 155 CH2 TRP A 214 -12.119 -5.775 -6.483 1.00 1.42 C ATOM 0 H TRP A 214 -13.581 -1.870 -1.055 1.00 0.85 H new ATOM 0 HA TRP A 214 -10.952 -2.816 -1.811 1.00 0.74 H new ATOM 0 HB2 TRP A 214 -12.806 -0.736 -3.023 1.00 0.83 H new ATOM 0 HB3 TRP A 214 -11.331 -1.326 -3.762 1.00 0.83 H new ATOM 0 HD1 TRP A 214 -14.887 -2.537 -2.833 1.00 1.21 H new ATOM 0 HE1 TRP A 214 -15.488 -4.602 -4.270 1.00 1.37 H new ATOM 0 HE3 TRP A 214 -10.352 -3.222 -5.086 1.00 1.09 H new ATOM 0 HZ2 TRP A 214 -14.165 -6.268 -6.112 1.00 1.45 H new ATOM 0 HZ3 TRP A 214 -10.095 -5.082 -6.682 1.00 1.26 H new ATOM 0 HH2 TRP A 214 -11.979 -6.582 -7.188 1.00 1.42 H new ATOM 166 N ILE A 215 -11.422 0.128 -0.461 1.00 0.61 N ATOM 167 CA ILE A 215 -10.742 1.282 0.117 1.00 0.53 C ATOM 168 C ILE A 215 -9.614 0.821 1.032 1.00 0.42 C ATOM 169 O ILE A 215 -8.520 1.383 1.018 1.00 0.33 O ATOM 170 CB ILE A 215 -11.718 2.187 0.902 1.00 0.64 C ATOM 171 CG1 ILE A 215 -12.519 3.079 -0.052 1.00 0.76 C ATOM 172 CG2 ILE A 215 -10.974 3.044 1.918 1.00 0.60 C ATOM 173 CD1 ILE A 215 -13.447 2.320 -0.973 1.00 0.91 C ATOM 0 H ILE A 215 -12.420 0.079 -0.254 1.00 0.61 H new ATOM 0 HA ILE A 215 -10.330 1.868 -0.705 1.00 0.53 H new ATOM 0 HB ILE A 215 -12.410 1.539 1.439 1.00 0.64 H new ATOM 0 HG12 ILE A 215 -13.105 3.786 0.535 1.00 0.76 H new ATOM 0 HG13 ILE A 215 -11.824 3.664 -0.655 1.00 0.76 H new ATOM 0 HG21 ILE A 215 -11.685 3.671 2.456 1.00 0.60 H new ATOM 0 HG22 ILE A 215 -10.452 2.399 2.625 1.00 0.60 H new ATOM 0 HG23 ILE A 215 -10.252 3.676 1.401 1.00 0.60 H new ATOM 0 HD11 ILE A 215 -13.977 3.023 -1.616 1.00 0.91 H new ATOM 0 HD12 ILE A 215 -12.867 1.632 -1.588 1.00 0.91 H new ATOM 0 HD13 ILE A 215 -14.167 1.757 -0.380 1.00 0.91 H new ATOM 185 N SER A 216 -9.891 -0.202 1.837 1.00 0.46 N ATOM 186 CA SER A 216 -8.885 -0.749 2.736 1.00 0.40 C ATOM 187 C SER A 216 -7.714 -1.270 1.919 1.00 0.29 C ATOM 188 O SER A 216 -6.557 -1.175 2.327 1.00 0.24 O ATOM 189 CB SER A 216 -9.478 -1.872 3.589 1.00 0.49 C ATOM 190 OG SER A 216 -8.510 -2.407 4.474 1.00 1.35 O ATOM 0 H SER A 216 -10.799 -0.665 1.883 1.00 0.46 H new ATOM 0 HA SER A 216 -8.539 0.038 3.406 1.00 0.40 H new ATOM 0 HB2 SER A 216 -10.325 -1.491 4.159 1.00 0.49 H new ATOM 0 HB3 SER A 216 -9.859 -2.662 2.942 1.00 0.49 H new ATOM 0 HG SER A 216 -8.915 -3.122 5.009 1.00 1.35 H new ATOM 196 N VAL A 217 -8.036 -1.820 0.752 1.00 0.31 N ATOM 197 CA VAL A 217 -7.035 -2.346 -0.158 1.00 0.26 C ATOM 198 C VAL A 217 -6.288 -1.201 -0.831 1.00 0.19 C ATOM 199 O VAL A 217 -5.118 -1.330 -1.192 1.00 0.19 O ATOM 200 CB VAL A 217 -7.682 -3.241 -1.235 1.00 0.38 C ATOM 201 CG1 VAL A 217 -6.650 -3.690 -2.256 1.00 0.40 C ATOM 202 CG2 VAL A 217 -8.360 -4.442 -0.592 1.00 0.48 C ATOM 0 H VAL A 217 -8.995 -1.911 0.416 1.00 0.31 H new ATOM 0 HA VAL A 217 -6.336 -2.949 0.421 1.00 0.26 H new ATOM 0 HB VAL A 217 -8.440 -2.656 -1.756 1.00 0.38 H new ATOM 0 HG11 VAL A 217 -7.130 -4.320 -3.005 1.00 0.40 H new ATOM 0 HG12 VAL A 217 -6.214 -2.817 -2.741 1.00 0.40 H new ATOM 0 HG13 VAL A 217 -5.865 -4.256 -1.755 1.00 0.40 H new ATOM 0 HG21 VAL A 217 -8.811 -5.063 -1.366 1.00 0.48 H new ATOM 0 HG22 VAL A 217 -7.621 -5.026 -0.043 1.00 0.48 H new ATOM 0 HG23 VAL A 217 -9.134 -4.099 0.095 1.00 0.48 H new ATOM 212 N ALA A 218 -6.983 -0.080 -0.991 1.00 0.21 N ATOM 213 CA ALA A 218 -6.412 1.105 -1.615 1.00 0.21 C ATOM 214 C ALA A 218 -5.120 1.516 -0.919 1.00 0.14 C ATOM 215 O ALA A 218 -4.111 1.793 -1.568 1.00 0.18 O ATOM 216 CB ALA A 218 -7.418 2.248 -1.583 1.00 0.27 C ATOM 0 H ALA A 218 -7.952 0.031 -0.693 1.00 0.21 H new ATOM 0 HA ALA A 218 -6.177 0.869 -2.653 1.00 0.21 H new ATOM 0 HB1 ALA A 218 -6.982 3.130 -2.052 1.00 0.27 H new ATOM 0 HB2 ALA A 218 -8.318 1.956 -2.125 1.00 0.27 H new ATOM 0 HB3 ALA A 218 -7.676 2.477 -0.549 1.00 0.27 H new ATOM 222 N VAL A 219 -5.159 1.548 0.408 1.00 0.10 N ATOM 223 CA VAL A 219 -3.994 1.925 1.194 1.00 0.14 C ATOM 224 C VAL A 219 -2.874 0.903 1.038 1.00 0.17 C ATOM 225 O VAL A 219 -1.706 1.272 0.926 1.00 0.25 O ATOM 226 CB VAL A 219 -4.342 2.072 2.686 1.00 0.19 C ATOM 227 CG1 VAL A 219 -3.173 2.676 3.447 1.00 0.27 C ATOM 228 CG2 VAL A 219 -5.590 2.923 2.859 1.00 0.20 C ATOM 0 H VAL A 219 -5.985 1.317 0.960 1.00 0.10 H new ATOM 0 HA VAL A 219 -3.656 2.890 0.816 1.00 0.14 H new ATOM 0 HB VAL A 219 -4.542 1.081 3.094 1.00 0.19 H new ATOM 0 HG11 VAL A 219 -3.436 2.773 4.500 1.00 0.27 H new ATOM 0 HG12 VAL A 219 -2.301 2.029 3.349 1.00 0.27 H new ATOM 0 HG13 VAL A 219 -2.942 3.660 3.038 1.00 0.27 H new ATOM 0 HG21 VAL A 219 -5.822 3.017 3.920 1.00 0.20 H new ATOM 0 HG22 VAL A 219 -5.417 3.913 2.436 1.00 0.20 H new ATOM 0 HG23 VAL A 219 -6.427 2.450 2.345 1.00 0.20 H new ATOM 238 N LEU A 220 -3.234 -0.382 1.032 1.00 0.15 N ATOM 239 CA LEU A 220 -2.246 -1.448 0.882 1.00 0.20 C ATOM 240 C LEU A 220 -1.416 -1.221 -0.368 1.00 0.21 C ATOM 241 O LEU A 220 -0.204 -1.423 -0.366 1.00 0.26 O ATOM 242 CB LEU A 220 -2.929 -2.814 0.800 1.00 0.20 C ATOM 243 CG LEU A 220 -4.097 -3.011 1.760 1.00 0.21 C ATOM 244 CD1 LEU A 220 -4.661 -4.418 1.632 1.00 0.27 C ATOM 245 CD2 LEU A 220 -3.664 -2.736 3.194 1.00 0.27 C ATOM 0 H LEU A 220 -4.196 -0.707 1.129 1.00 0.15 H new ATOM 0 HA LEU A 220 -1.596 -1.432 1.757 1.00 0.20 H new ATOM 0 HB2 LEU A 220 -3.287 -2.964 -0.219 1.00 0.20 H new ATOM 0 HB3 LEU A 220 -2.185 -3.587 0.993 1.00 0.20 H new ATOM 0 HG LEU A 220 -4.881 -2.301 1.497 1.00 0.21 H new ATOM 0 HD11 LEU A 220 -5.494 -4.541 2.325 1.00 0.27 H new ATOM 0 HD12 LEU A 220 -5.011 -4.578 0.612 1.00 0.27 H new ATOM 0 HD13 LEU A 220 -3.883 -5.145 1.868 1.00 0.27 H new ATOM 0 HD21 LEU A 220 -4.511 -2.882 3.864 1.00 0.27 H new ATOM 0 HD22 LEU A 220 -2.862 -3.420 3.469 1.00 0.27 H new ATOM 0 HD23 LEU A 220 -3.309 -1.709 3.276 1.00 0.27 H new ATOM 257 N SER A 221 -2.085 -0.806 -1.436 1.00 0.20 N ATOM 258 CA SER A 221 -1.408 -0.534 -2.697 1.00 0.25 C ATOM 259 C SER A 221 -0.268 0.453 -2.481 1.00 0.28 C ATOM 260 O SER A 221 0.812 0.308 -3.050 1.00 0.33 O ATOM 261 CB SER A 221 -2.395 0.020 -3.727 1.00 0.27 C ATOM 262 OG SER A 221 -3.440 -0.905 -3.981 1.00 1.14 O ATOM 0 H SER A 221 -3.093 -0.651 -1.454 1.00 0.20 H new ATOM 0 HA SER A 221 -0.997 -1.470 -3.077 1.00 0.25 H new ATOM 0 HB2 SER A 221 -2.815 0.958 -3.365 1.00 0.27 H new ATOM 0 HB3 SER A 221 -1.869 0.244 -4.655 1.00 0.27 H new ATOM 0 HG SER A 221 -4.022 -0.965 -3.195 1.00 1.14 H new ATOM 268 N ALA A 222 -0.524 1.470 -1.664 1.00 0.28 N ATOM 269 CA ALA A 222 0.490 2.468 -1.356 1.00 0.32 C ATOM 270 C ALA A 222 1.560 1.884 -0.437 1.00 0.35 C ATOM 271 O ALA A 222 2.747 2.162 -0.597 1.00 0.38 O ATOM 272 CB ALA A 222 -0.142 3.694 -0.722 1.00 0.33 C ATOM 0 H ALA A 222 -1.422 1.623 -1.206 1.00 0.28 H new ATOM 0 HA ALA A 222 0.966 2.769 -2.289 1.00 0.32 H new ATOM 0 HB1 ALA A 222 0.632 4.428 -0.499 1.00 0.33 H new ATOM 0 HB2 ALA A 222 -0.866 4.128 -1.412 1.00 0.33 H new ATOM 0 HB3 ALA A 222 -0.646 3.407 0.201 1.00 0.33 H new ATOM 278 N VAL A 223 1.127 1.072 0.524 1.00 0.35 N ATOM 279 CA VAL A 223 2.044 0.451 1.475 1.00 0.39 C ATOM 280 C VAL A 223 3.082 -0.409 0.762 1.00 0.40 C ATOM 281 O VAL A 223 4.283 -0.243 0.978 1.00 0.42 O ATOM 282 CB VAL A 223 1.292 -0.408 2.511 1.00 0.41 C ATOM 283 CG1 VAL A 223 2.281 -1.114 3.428 1.00 0.49 C ATOM 284 CG2 VAL A 223 0.328 0.447 3.319 1.00 0.39 C ATOM 0 H VAL A 223 0.146 0.829 0.665 1.00 0.35 H new ATOM 0 HA VAL A 223 2.552 1.262 1.996 1.00 0.39 H new ATOM 0 HB VAL A 223 0.712 -1.163 1.980 1.00 0.41 H new ATOM 0 HG11 VAL A 223 1.737 -1.717 4.155 1.00 0.49 H new ATOM 0 HG12 VAL A 223 2.930 -1.758 2.835 1.00 0.49 H new ATOM 0 HG13 VAL A 223 2.885 -0.373 3.951 1.00 0.49 H new ATOM 0 HG21 VAL A 223 -0.193 -0.178 4.044 1.00 0.39 H new ATOM 0 HG22 VAL A 223 0.883 1.225 3.843 1.00 0.39 H new ATOM 0 HG23 VAL A 223 -0.398 0.908 2.650 1.00 0.39 H new ATOM 294 N ILE A 224 2.622 -1.331 -0.082 1.00 0.40 N ATOM 295 CA ILE A 224 3.533 -2.198 -0.816 1.00 0.42 C ATOM 296 C ILE A 224 4.483 -1.364 -1.664 1.00 0.39 C ATOM 297 O ILE A 224 5.627 -1.745 -1.897 1.00 0.39 O ATOM 298 CB ILE A 224 2.778 -3.203 -1.713 1.00 0.45 C ATOM 299 CG1 ILE A 224 1.832 -2.480 -2.672 1.00 0.46 C ATOM 300 CG2 ILE A 224 2.008 -4.198 -0.857 1.00 0.51 C ATOM 301 CD1 ILE A 224 2.452 -2.168 -4.019 1.00 0.46 C ATOM 0 H ILE A 224 1.633 -1.494 -0.271 1.00 0.40 H new ATOM 0 HA ILE A 224 4.101 -2.769 -0.082 1.00 0.42 H new ATOM 0 HB ILE A 224 3.512 -3.745 -2.309 1.00 0.45 H new ATOM 0 HG12 ILE A 224 0.944 -3.094 -2.824 1.00 0.46 H new ATOM 0 HG13 ILE A 224 1.501 -1.550 -2.210 1.00 0.46 H new ATOM 0 HG21 ILE A 224 1.480 -4.901 -1.502 1.00 0.51 H new ATOM 0 HG22 ILE A 224 2.703 -4.743 -0.218 1.00 0.51 H new ATOM 0 HG23 ILE A 224 1.288 -3.664 -0.237 1.00 0.51 H new ATOM 0 HD11 ILE A 224 1.722 -1.655 -4.646 1.00 0.46 H new ATOM 0 HD12 ILE A 224 3.323 -1.528 -3.879 1.00 0.46 H new ATOM 0 HD13 ILE A 224 2.757 -3.096 -4.503 1.00 0.46 H new ATOM 313 N CYS A 225 3.986 -0.221 -2.127 1.00 0.38 N ATOM 314 CA CYS A 225 4.787 0.694 -2.928 1.00 0.36 C ATOM 315 C CYS A 225 5.912 1.286 -2.087 1.00 0.34 C ATOM 316 O CYS A 225 7.010 1.537 -2.582 1.00 0.34 O ATOM 317 CB CYS A 225 3.906 1.811 -3.495 1.00 0.36 C ATOM 318 SG CYS A 225 2.981 1.342 -4.976 1.00 1.36 S ATOM 0 H CYS A 225 3.030 0.093 -1.960 1.00 0.38 H new ATOM 0 HA CYS A 225 5.226 0.139 -3.757 1.00 0.36 H new ATOM 0 HB2 CYS A 225 3.202 2.130 -2.726 1.00 0.36 H new ATOM 0 HB3 CYS A 225 4.534 2.671 -3.729 1.00 0.36 H new ATOM 0 HG CYS A 225 1.854 0.794 -4.629 1.00 1.36 H new ATOM 324 N LEU A 226 5.622 1.502 -0.806 1.00 0.35 N ATOM 325 CA LEU A 226 6.593 2.070 0.124 1.00 0.35 C ATOM 326 C LEU A 226 7.731 1.094 0.420 1.00 0.31 C ATOM 327 O LEU A 226 8.905 1.439 0.279 1.00 0.29 O ATOM 328 CB LEU A 226 5.899 2.467 1.431 1.00 0.40 C ATOM 329 CG LEU A 226 5.528 3.947 1.549 1.00 0.46 C ATOM 330 CD1 LEU A 226 4.519 4.340 0.480 1.00 0.44 C ATOM 331 CD2 LEU A 226 4.979 4.247 2.936 1.00 0.51 C ATOM 0 H LEU A 226 4.716 1.290 -0.387 1.00 0.35 H new ATOM 0 HA LEU A 226 7.023 2.954 -0.347 1.00 0.35 H new ATOM 0 HB2 LEU A 226 4.992 1.872 1.537 1.00 0.40 H new ATOM 0 HB3 LEU A 226 6.551 2.205 2.264 1.00 0.40 H new ATOM 0 HG LEU A 226 6.431 4.538 1.397 1.00 0.46 H new ATOM 0 HD11 LEU A 226 4.271 5.396 0.585 1.00 0.44 H new ATOM 0 HD12 LEU A 226 4.947 4.164 -0.507 1.00 0.44 H new ATOM 0 HD13 LEU A 226 3.615 3.742 0.595 1.00 0.44 H new ATOM 0 HD21 LEU A 226 4.720 5.304 3.004 1.00 0.51 H new ATOM 0 HD22 LEU A 226 4.089 3.643 3.114 1.00 0.51 H new ATOM 0 HD23 LEU A 226 5.734 4.010 3.685 1.00 0.51 H new ATOM 343 N ILE A 227 7.382 -0.122 0.832 1.00 0.33 N ATOM 344 CA ILE A 227 8.379 -1.136 1.164 1.00 0.31 C ATOM 345 C ILE A 227 9.352 -1.385 0.014 1.00 0.25 C ATOM 346 O ILE A 227 10.535 -1.629 0.245 1.00 0.22 O ATOM 347 CB ILE A 227 7.733 -2.472 1.576 1.00 0.38 C ATOM 348 CG1 ILE A 227 6.912 -3.060 0.426 1.00 0.38 C ATOM 349 CG2 ILE A 227 6.864 -2.276 2.808 1.00 0.45 C ATOM 350 CD1 ILE A 227 6.772 -4.565 0.497 1.00 0.46 C ATOM 0 H ILE A 227 6.416 -0.429 0.944 1.00 0.33 H new ATOM 0 HA ILE A 227 8.933 -0.736 2.013 1.00 0.31 H new ATOM 0 HB ILE A 227 8.528 -3.178 1.817 1.00 0.38 H new ATOM 0 HG12 ILE A 227 5.919 -2.609 0.430 1.00 0.38 H new ATOM 0 HG13 ILE A 227 7.381 -2.790 -0.520 1.00 0.38 H new ATOM 0 HG21 ILE A 227 6.413 -3.227 3.090 1.00 0.45 H new ATOM 0 HG22 ILE A 227 7.477 -1.907 3.631 1.00 0.45 H new ATOM 0 HG23 ILE A 227 6.079 -1.553 2.588 1.00 0.45 H new ATOM 0 HD11 ILE A 227 6.179 -4.916 -0.348 1.00 0.46 H new ATOM 0 HD12 ILE A 227 7.760 -5.024 0.462 1.00 0.46 H new ATOM 0 HD13 ILE A 227 6.276 -4.841 1.428 1.00 0.46 H new ATOM 362 N ILE A 228 8.856 -1.328 -1.219 1.00 0.24 N ATOM 363 CA ILE A 228 9.697 -1.561 -2.389 1.00 0.21 C ATOM 364 C ILE A 228 10.793 -0.510 -2.473 1.00 0.17 C ATOM 365 O ILE A 228 11.928 -0.803 -2.851 1.00 0.17 O ATOM 366 CB ILE A 228 8.870 -1.547 -3.692 1.00 0.26 C ATOM 367 CG1 ILE A 228 7.874 -2.707 -3.698 1.00 0.29 C ATOM 368 CG2 ILE A 228 9.784 -1.621 -4.908 1.00 0.27 C ATOM 369 CD1 ILE A 228 6.782 -2.562 -4.736 1.00 0.36 C ATOM 0 H ILE A 228 7.880 -1.123 -1.433 1.00 0.24 H new ATOM 0 HA ILE A 228 10.146 -2.548 -2.277 1.00 0.21 H new ATOM 0 HB ILE A 228 8.314 -0.611 -3.740 1.00 0.26 H new ATOM 0 HG12 ILE A 228 8.413 -3.637 -3.877 1.00 0.29 H new ATOM 0 HG13 ILE A 228 7.418 -2.788 -2.711 1.00 0.29 H new ATOM 0 HG21 ILE A 228 9.182 -1.610 -5.817 1.00 0.27 H new ATOM 0 HG22 ILE A 228 10.458 -0.765 -4.909 1.00 0.27 H new ATOM 0 HG23 ILE A 228 10.367 -2.541 -4.870 1.00 0.27 H new ATOM 0 HD11 ILE A 228 6.113 -3.421 -4.682 1.00 0.36 H new ATOM 0 HD12 ILE A 228 6.217 -1.649 -4.545 1.00 0.36 H new ATOM 0 HD13 ILE A 228 7.228 -2.511 -5.729 1.00 0.36 H new ATOM 381 N VAL A 229 10.436 0.715 -2.116 1.00 0.17 N ATOM 382 CA VAL A 229 11.374 1.826 -2.133 1.00 0.18 C ATOM 383 C VAL A 229 12.566 1.551 -1.222 1.00 0.14 C ATOM 384 O VAL A 229 13.719 1.700 -1.627 1.00 0.17 O ATOM 385 CB VAL A 229 10.678 3.126 -1.689 1.00 0.24 C ATOM 386 CG1 VAL A 229 11.687 4.250 -1.503 1.00 0.27 C ATOM 387 CG2 VAL A 229 9.607 3.521 -2.693 1.00 0.30 C ATOM 0 H VAL A 229 9.496 0.965 -1.809 1.00 0.17 H new ATOM 0 HA VAL A 229 11.734 1.940 -3.156 1.00 0.18 H new ATOM 0 HB VAL A 229 10.200 2.946 -0.726 1.00 0.24 H new ATOM 0 HG11 VAL A 229 11.169 5.156 -1.189 1.00 0.27 H new ATOM 0 HG12 VAL A 229 12.413 3.965 -0.741 1.00 0.27 H new ATOM 0 HG13 VAL A 229 12.203 4.435 -2.445 1.00 0.27 H new ATOM 0 HG21 VAL A 229 9.124 4.442 -2.366 1.00 0.30 H new ATOM 0 HG22 VAL A 229 10.064 3.678 -3.670 1.00 0.30 H new ATOM 0 HG23 VAL A 229 8.864 2.727 -2.764 1.00 0.30 H new ATOM 397 N TRP A 230 12.278 1.151 0.012 1.00 0.14 N ATOM 398 CA TRP A 230 13.320 0.855 0.988 1.00 0.16 C ATOM 399 C TRP A 230 14.040 -0.440 0.638 1.00 0.12 C ATOM 400 O TRP A 230 15.246 -0.566 0.831 1.00 0.17 O ATOM 401 CB TRP A 230 12.720 0.756 2.391 1.00 0.24 C ATOM 402 CG TRP A 230 12.519 2.090 3.042 1.00 0.32 C ATOM 403 CD1 TRP A 230 13.488 2.910 3.542 1.00 0.35 C ATOM 404 CD2 TRP A 230 11.272 2.759 3.265 1.00 0.40 C ATOM 405 NE1 TRP A 230 12.922 4.049 4.062 1.00 0.43 N ATOM 406 CE2 TRP A 230 11.562 3.979 3.904 1.00 0.46 C ATOM 407 CE3 TRP A 230 9.939 2.444 2.987 1.00 0.44 C ATOM 408 CZ2 TRP A 230 10.568 4.884 4.269 1.00 0.56 C ATOM 409 CZ3 TRP A 230 8.953 3.344 3.349 1.00 0.54 C ATOM 410 CH2 TRP A 230 9.272 4.552 3.984 1.00 0.59 C ATOM 0 H TRP A 230 11.328 1.024 0.361 1.00 0.14 H new ATOM 0 HA TRP A 230 14.045 1.669 0.967 1.00 0.16 H new ATOM 0 HB2 TRP A 230 11.762 0.239 2.334 1.00 0.24 H new ATOM 0 HB3 TRP A 230 13.374 0.148 3.017 1.00 0.24 H new ATOM 0 HD1 TRP A 230 14.546 2.695 3.531 1.00 0.35 H new ATOM 0 HE1 TRP A 230 13.430 4.820 4.495 1.00 0.43 H new ATOM 0 HE3 TRP A 230 9.684 1.515 2.499 1.00 0.44 H new ATOM 0 HZ2 TRP A 230 10.812 5.815 4.760 1.00 0.56 H new ATOM 0 HZ3 TRP A 230 7.919 3.112 3.139 1.00 0.54 H new ATOM 0 HH2 TRP A 230 8.479 5.234 4.254 1.00 0.59 H new ATOM 421 N ALA A 231 13.282 -1.396 0.121 1.00 0.11 N ATOM 422 CA ALA A 231 13.824 -2.695 -0.260 1.00 0.16 C ATOM 423 C ALA A 231 14.813 -2.574 -1.413 1.00 0.20 C ATOM 424 O ALA A 231 15.462 -3.548 -1.789 1.00 0.29 O ATOM 425 CB ALA A 231 12.688 -3.631 -0.632 1.00 0.20 C ATOM 0 H ALA A 231 12.281 -1.296 -0.046 1.00 0.11 H new ATOM 0 HA ALA A 231 14.367 -3.103 0.593 1.00 0.16 H new ATOM 0 HB1 ALA A 231 13.095 -4.601 -0.917 1.00 0.20 H new ATOM 0 HB2 ALA A 231 12.022 -3.753 0.222 1.00 0.20 H new ATOM 0 HB3 ALA A 231 12.130 -3.212 -1.469 1.00 0.20 H new ATOM 431 N VAL A 232 14.914 -1.376 -1.972 1.00 0.21 N ATOM 432 CA VAL A 232 15.831 -1.116 -3.075 1.00 0.33 C ATOM 433 C VAL A 232 16.865 -0.074 -2.658 1.00 0.39 C ATOM 434 O VAL A 232 17.783 0.267 -3.405 1.00 0.50 O ATOM 435 CB VAL A 232 15.071 -0.657 -4.335 1.00 0.37 C ATOM 436 CG1 VAL A 232 16.032 -0.196 -5.420 1.00 0.51 C ATOM 437 CG2 VAL A 232 14.191 -1.784 -4.841 1.00 0.37 C ATOM 0 H VAL A 232 14.370 -0.565 -1.679 1.00 0.21 H new ATOM 0 HA VAL A 232 16.346 -2.045 -3.321 1.00 0.33 H new ATOM 0 HB VAL A 232 14.443 0.194 -4.070 1.00 0.37 H new ATOM 0 HG11 VAL A 232 15.466 0.122 -6.296 1.00 0.51 H new ATOM 0 HG12 VAL A 232 16.626 0.639 -5.049 1.00 0.51 H new ATOM 0 HG13 VAL A 232 16.693 -1.018 -5.694 1.00 0.51 H new ATOM 0 HG21 VAL A 232 13.655 -1.456 -5.732 1.00 0.37 H new ATOM 0 HG22 VAL A 232 14.810 -2.647 -5.087 1.00 0.37 H new ATOM 0 HG23 VAL A 232 13.474 -2.061 -4.068 1.00 0.37 H new ATOM 447 N ALA A 233 16.729 0.391 -1.427 1.00 0.33 N ATOM 448 CA ALA A 233 17.646 1.366 -0.869 1.00 0.41 C ATOM 449 C ALA A 233 18.333 0.738 0.332 1.00 0.44 C ATOM 450 O ALA A 233 19.208 1.329 0.962 1.00 0.52 O ATOM 451 CB ALA A 233 16.907 2.636 -0.472 1.00 0.37 C ATOM 0 H ALA A 233 15.984 0.104 -0.792 1.00 0.33 H new ATOM 0 HA ALA A 233 18.390 1.647 -1.614 1.00 0.41 H new ATOM 0 HB1 ALA A 233 17.614 3.353 -0.056 1.00 0.37 H new ATOM 0 HB2 ALA A 233 16.427 3.067 -1.350 1.00 0.37 H new ATOM 0 HB3 ALA A 233 16.150 2.398 0.275 1.00 0.37 H new ATOM 457 N LEU A 234 17.896 -0.480 0.627 1.00 0.39 N ATOM 458 CA LEU A 234 18.430 -1.286 1.711 1.00 0.46 C ATOM 459 C LEU A 234 18.987 -2.574 1.119 1.00 0.53 C ATOM 460 O LEU A 234 19.353 -3.504 1.838 1.00 0.60 O ATOM 461 CB LEU A 234 17.327 -1.629 2.718 1.00 0.42 C ATOM 462 CG LEU A 234 17.019 -0.572 3.783 1.00 0.43 C ATOM 463 CD1 LEU A 234 16.826 0.800 3.160 1.00 0.39 C ATOM 464 CD2 LEU A 234 15.777 -0.977 4.561 1.00 0.45 C ATOM 0 H LEU A 234 17.148 -0.941 0.109 1.00 0.39 H new ATOM 0 HA LEU A 234 19.211 -0.729 2.228 1.00 0.46 H new ATOM 0 HB2 LEU A 234 16.411 -1.832 2.164 1.00 0.42 H new ATOM 0 HB3 LEU A 234 17.604 -2.553 3.225 1.00 0.42 H new ATOM 0 HG LEU A 234 17.869 -0.511 4.462 1.00 0.43 H new ATOM 0 HD11 LEU A 234 16.609 1.527 3.942 1.00 0.39 H new ATOM 0 HD12 LEU A 234 17.735 1.092 2.635 1.00 0.39 H new ATOM 0 HD13 LEU A 234 15.995 0.766 2.455 1.00 0.39 H new ATOM 0 HD21 LEU A 234 15.560 -0.223 5.318 1.00 0.45 H new ATOM 0 HD22 LEU A 234 14.931 -1.060 3.879 1.00 0.45 H new ATOM 0 HD23 LEU A 234 15.948 -1.939 5.045 1.00 0.45 H new ATOM 476 N LYS A 235 19.044 -2.603 -0.210 1.00 0.53 N ATOM 477 CA LYS A 235 19.510 -3.765 -0.945 1.00 0.61 C ATOM 478 C LYS A 235 20.800 -3.469 -1.709 1.00 0.74 C ATOM 479 O LYS A 235 20.927 -3.807 -2.886 1.00 0.82 O ATOM 480 CB LYS A 235 18.416 -4.212 -1.915 1.00 0.54 C ATOM 481 CG LYS A 235 17.833 -5.582 -1.612 1.00 0.55 C ATOM 482 CD LYS A 235 17.436 -5.715 -0.156 1.00 0.53 C ATOM 483 CE LYS A 235 16.013 -6.210 -0.016 1.00 0.49 C ATOM 484 NZ LYS A 235 15.699 -6.626 1.379 1.00 0.56 N1+ ATOM 0 H LYS A 235 18.768 -1.820 -0.803 1.00 0.53 H new ATOM 0 HA LYS A 235 19.728 -4.561 -0.233 1.00 0.61 H new ATOM 0 HB2 LYS A 235 17.612 -3.477 -1.901 1.00 0.54 H new ATOM 0 HB3 LYS A 235 18.824 -4.219 -2.926 1.00 0.54 H new ATOM 0 HG2 LYS A 235 16.961 -5.754 -2.244 1.00 0.55 H new ATOM 0 HG3 LYS A 235 18.564 -6.351 -1.861 1.00 0.55 H new ATOM 0 HD2 LYS A 235 18.114 -6.405 0.346 1.00 0.53 H new ATOM 0 HD3 LYS A 235 17.538 -4.750 0.340 1.00 0.53 H new ATOM 0 HE2 LYS A 235 15.324 -5.423 -0.323 1.00 0.49 H new ATOM 0 HE3 LYS A 235 15.855 -7.052 -0.689 1.00 0.49 H new ATOM 0 HZ1 LYS A 235 14.715 -6.958 1.429 1.00 0.56 H new ATOM 0 HZ2 LYS A 235 16.339 -7.395 1.664 1.00 0.56 H new ATOM 0 HZ3 LYS A 235 15.824 -5.816 2.019 1.00 0.56 H new ATOM 498 N GLY A 236 21.760 -2.841 -1.033 1.00 1.13 N ATOM 499 CA GLY A 236 23.022 -2.522 -1.672 1.00 1.30 C ATOM 500 C GLY A 236 23.622 -1.220 -1.179 1.00 1.58 C ATOM 501 O GLY A 236 24.702 -0.822 -1.614 1.00 1.97 O ATOM 0 H GLY A 236 21.685 -2.549 -0.058 1.00 1.13 H new ATOM 0 HA2 GLY A 236 23.729 -3.332 -1.493 1.00 1.30 H new ATOM 0 HA3 GLY A 236 22.872 -2.462 -2.750 1.00 1.30 H new ATOM 505 N TYR A 237 22.918 -0.553 -0.270 1.00 1.55 N ATOM 506 CA TYR A 237 23.384 0.708 0.282 1.00 1.93 C ATOM 507 C TYR A 237 23.977 0.506 1.675 1.00 2.68 C ATOM 508 O TYR A 237 24.798 1.302 2.135 1.00 3.13 O ATOM 509 CB TYR A 237 22.225 1.714 0.316 1.00 1.48 C ATOM 510 CG TYR A 237 22.242 2.651 1.503 1.00 1.63 C ATOM 511 CD1 TYR A 237 22.947 3.845 1.452 1.00 2.15 C ATOM 512 CD2 TYR A 237 21.557 2.341 2.671 1.00 2.12 C ATOM 513 CE1 TYR A 237 22.971 4.707 2.531 1.00 2.91 C ATOM 514 CE2 TYR A 237 21.575 3.196 3.756 1.00 2.76 C ATOM 515 CZ TYR A 237 22.262 4.367 3.691 1.00 3.10 C ATOM 516 OH TYR A 237 22.304 5.233 4.759 1.00 4.00 O ATOM 0 H TYR A 237 22.021 -0.868 0.099 1.00 1.55 H new ATOM 0 HA TYR A 237 24.174 1.104 -0.355 1.00 1.93 H new ATOM 0 HB2 TYR A 237 22.248 2.306 -0.599 1.00 1.48 H new ATOM 0 HB3 TYR A 237 21.284 1.165 0.316 1.00 1.48 H new ATOM 0 HD1 TYR A 237 23.486 4.105 0.553 1.00 2.15 H new ATOM 0 HD2 TYR A 237 21.001 1.417 2.732 1.00 2.12 H new ATOM 0 HE1 TYR A 237 23.529 5.631 2.481 1.00 2.91 H new ATOM 0 HE2 TYR A 237 21.042 2.933 4.658 1.00 2.76 H new ATOM 0 HH TYR A 237 21.767 4.871 5.495 1.00 4.00 H new ATOM 526 N SER A 238 23.561 -0.568 2.338 1.00 3.04 N ATOM 527 CA SER A 238 24.048 -0.873 3.680 1.00 3.95 C ATOM 528 C SER A 238 25.522 -1.270 3.652 1.00 4.58 C ATOM 529 O SER A 238 26.148 -1.433 4.701 1.00 5.29 O ATOM 530 CB SER A 238 23.217 -1.995 4.304 1.00 4.49 C ATOM 531 OG SER A 238 23.661 -2.290 5.617 1.00 4.96 O ATOM 0 H SER A 238 22.889 -1.241 1.969 1.00 3.04 H new ATOM 0 HA SER A 238 23.947 0.027 4.287 1.00 3.95 H new ATOM 0 HB2 SER A 238 22.167 -1.703 4.329 1.00 4.49 H new ATOM 0 HB3 SER A 238 23.285 -2.889 3.685 1.00 4.49 H new ATOM 0 HG SER A 238 24.597 -2.017 5.715 1.00 4.96 H new ATOM 537 N MET A 239 26.070 -1.426 2.451 1.00 4.61 N ATOM 538 CA MET A 239 27.469 -1.808 2.295 1.00 5.54 C ATOM 539 C MET A 239 28.221 -0.805 1.426 1.00 5.88 C ATOM 540 O MET A 239 29.106 -1.177 0.656 1.00 6.64 O ATOM 541 CB MET A 239 27.574 -3.203 1.681 1.00 5.96 C ATOM 542 CG MET A 239 26.773 -4.259 2.429 1.00 6.04 C ATOM 543 SD MET A 239 27.005 -5.915 1.753 1.00 6.88 S ATOM 544 CE MET A 239 26.464 -5.674 0.063 1.00 6.96 C ATOM 0 H MET A 239 25.568 -1.294 1.573 1.00 4.61 H new ATOM 0 HA MET A 239 27.924 -1.815 3.285 1.00 5.54 H new ATOM 0 HB2 MET A 239 27.230 -3.163 0.647 1.00 5.96 H new ATOM 0 HB3 MET A 239 28.622 -3.503 1.657 1.00 5.96 H new ATOM 0 HG2 MET A 239 27.065 -4.255 3.479 1.00 6.04 H new ATOM 0 HG3 MET A 239 25.715 -4.001 2.392 1.00 6.04 H new ATOM 0 HE1 MET A 239 26.226 -6.639 -0.384 1.00 6.96 H new ATOM 0 HE2 MET A 239 25.577 -5.040 0.052 1.00 6.96 H new ATOM 0 HE3 MET A 239 27.259 -5.196 -0.509 1.00 6.96 H new ATOM 554 N VAL A 240 27.867 0.468 1.556 1.00 5.58 N ATOM 555 CA VAL A 240 28.510 1.523 0.782 1.00 6.19 C ATOM 556 C VAL A 240 29.989 1.648 1.140 1.00 7.44 C ATOM 557 O VAL A 240 30.307 2.348 2.125 1.00 7.88 O ATOM 558 CB VAL A 240 27.816 2.882 0.993 1.00 5.82 C ATOM 559 CG1 VAL A 240 26.562 2.979 0.138 1.00 4.89 C ATOM 560 CG2 VAL A 240 27.481 3.089 2.463 1.00 5.70 C ATOM 561 OXT VAL A 240 30.820 1.043 0.430 1.00 8.12 O ATOM 0 H VAL A 240 27.138 0.795 2.190 1.00 5.58 H new ATOM 0 HA VAL A 240 28.420 1.243 -0.268 1.00 6.19 H new ATOM 0 HB VAL A 240 28.503 3.671 0.685 1.00 5.82 H new ATOM 0 HG11 VAL A 240 26.085 3.946 0.300 1.00 4.89 H new ATOM 0 HG12 VAL A 240 26.830 2.878 -0.914 1.00 4.89 H new ATOM 0 HG13 VAL A 240 25.871 2.183 0.414 1.00 4.89 H new ATOM 0 HG21 VAL A 240 26.991 4.054 2.592 1.00 5.70 H new ATOM 0 HG22 VAL A 240 26.813 2.296 2.799 1.00 5.70 H new ATOM 0 HG23 VAL A 240 28.398 3.066 3.052 1.00 5.70 H new TER 571 VAL A 240